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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC34991115

• 34991115

Physical Representations

Activity (Go SEA)

• 40492899
  

  Analogs

  34991115

  

  Popular Name: 2-[2-[(2,2-dimethylpropylamino)methyl]phenoxy]acetonitrile 2-[2-[(2,2-dimethylpropylamino)m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61166633

  • Enamine BB Make on Demand

    • BBV-32517183

  • UORSY BB Make-on-demand

    • BBV-32517183

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.99	7.42	-39.1	2	3	1	50	233.335	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40492899
• 45657462
  

  Analogs

  34990903

  

  34991115

  

  Popular Name: 2-[2-[[[(2S)-3-methoxy-2-methyl-propyl]amino]methyl]phenoxy]acetonitrile 2-[2-[[[(2S)-3-methoxy-2-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61979555

  • Enamine BB Make on Demand

    • BBV-33659631

  • UORSY BB Make-on-demand

    • BBV-33659631

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.02	5.87	-43	2	4	1	59	249.334	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45657462
• 45657464
  

  Analogs

  34990903

  

  34991115

  

  Popular Name: 2-[2-[[[(2R)-3-methoxy-2-methyl-propyl]amino]methyl]phenoxy]acetonitrile 2-[2-[[[(2R)-3-methoxy-2-methyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61979555

  • Enamine BB Make on Demand

    • BBV-33659631

  • UORSY BB Make-on-demand

    • BBV-33659631

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.02	5.88	-42.83	2	4	1	59	249.334	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45657464
• 5907039
  

  Analogs

  6306873

  

  32153961

  

  34658845

  

  34664286

  

  34991115

  

  Popular Name: [(2-ethoxyphenyl)methyl](2-methylpropyl)amine [(2-ethoxyphenyl)methyl](2-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-000-936-036

  • Enamine Building Blocks

    • EN300-167288

  • EvoBlocks

    • EB17175

  • Molport BB

    • MolPort-000-936-036
    • MolPort-009-016-927

  And 12 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.00	0.68	-33.09	2	2	1	25	208.325	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05907039